5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one

C13H12N2O3S — CID 20873930

IUPAC5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one
SMILESCc1cc2nc(CSCc3ccco3)cc(=O)n2o1
InChIInChI=1S/C13H12N2O3S/c1-9-5-12-14-10(6-13(16)15(12)18-9)7-19-8-11-3-2-4-17-11/h2-6H,7-8H2,1H3
InChIKeyKWERWMDMYDXMRL-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.62
Rot. Bonds4

About 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one

5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one (PubChem CID 20873930) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one
PubChem CID20873930
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one
SMILESCc1cc2nc(CSCc3ccco3)cc(=O)n2o1
InChIInChI=1S/C13H12N2O3S/c1-9-5-12-14-10(6-13(16)15(12)18-9)7-19-8-11-3-2-4-17-11/h2-6H,7-8H2,1H3
InChIKeyKWERWMDMYDXMRL-UHFFFAOYSA-N
XLogP2.62
TPSA60.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The IUPAC name of 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one (CID 20873930) is 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one.
What is the SMILES notation for 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The canonical SMILES for 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one is Cc1cc2nc(CSCc3ccco3)cc(=O)n2o1.
What is the InChIKey of 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
The InChIKey is KWERWMDMYDXMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-9-5-12-14-10(6-13(16)15(12)18-9)7-19-8-11-3-2-4-17-11/h2-6H,7-8H2,1H3.
What are the key properties of 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one?
5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one has a molecular weight of 276.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfanylmethyl)-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one is sourced from PubChem (CID 20873930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).